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4-[1,3-benzodioxol-5-yl(tert-butylsulfanyl)methyl]-3-[hydroxy-(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
SpectraBase Compound ID LNYk8PgHT7n
InChI InChI=1S/C26H32O8S/c1-26(2,3)35-24(14-7-8-17-18(9-14)34-13-33-17)16-12-32-25(28)21(16)22(27)15-10-19(29-4)23(31-6)20(11-15)30-5/h7-11,16,21-22,24,27H,12-13H2,1-6H3
InChIKey JPMNONACDAEKOX-UHFFFAOYSA-N
Mol Weight 504.6 g/mol
Molecular Formula C26H32O8S
Exact Mass 504.181789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CygHxGp7Maf
Name 4-[1,3-benzodioxol-5-yl(tert-butylsulfanyl)methyl]-3-[hydroxy-(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
CAS Registry Number 118626-98-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H32O8S
InChI InChI=1S/C26H32O8S/c1-26(2,3)35-24(14-7-8-17-18(9-14)34-13-33-17)16-12-32-25(28)21(16)22(27)15-10-19(29-4)23(31-6)20(11-15)30-5/h7-11,16,21-22,24,27H,12-13H2,1-6H3
InChIKey JPMNONACDAEKOX-UHFFFAOYSA-N
Molecular Weight 504.594 g/mol
SMILES OC(c1cc(c(OC)c(c1)OC)OC)C1C(C(c2cc3c(OCO3)cc2)SC(C)(C)C)COC1=O
SPLASH splash10-014i-0091000000-ff4b89361a638c1fe44a
Source of Spectrum KC-1988-1622-20
Synonyms 4-[1,3-benzodioxol-5-yl(tert-butylsulfanyl)methyl]-3-[hydroxy-(3,4,5-trimethoxyphenyl)methyl]tetrahydrofuran-2-one 4-[1,3-benzodioxol-5-yl(tert-butylsulfanyl)methyl]-3-[oxidanyl-(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one 4-[1,3-benzodioxol-5-yl-(tert-butylthio)methyl]-3-[hydroxy-(3,4,5-trimethoxyphenyl)methyl]-2-oxolanone 4-[1,3-benzodioxol-5-yl-(tert-butylthio)methyl]-3-[hydroxy-(3,4,5-trimethoxyphenyl)methyl]tetrahydrofuran-2-one
Wiley ID 1399500